Angelic acid
Angelic acid structure
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Common Name | Angelic acid | ||
|---|---|---|---|---|
| CAS Number | 565-63-9 | Molecular Weight | 100.116 | |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 198.5±0.0 °C at 760 mmHg | |
| Molecular Formula | C5H8O2 | Melting Point | 44ºC | |
| MSDS | N/A | Flash Point | 95.9±9.6 °C | |
Use of Angelic acidAngelic Acid is a substance found in the essential oil of Anthemis nobilis, and it exists in an ester form. Angelic acid aids in wound healing and exhibits sedative and psychotropic properties[1]. |
Summary: Angelic acid (Chinese name: 白芷酸,通用中文名: 当归酸), CAS number 565-63-9, has a molecular formula of C5H8O2 and a molecular weight of 100.116. It appears as a pale yellow crystalline solid with a melting point of 44ºC and a boiling point of 198.5±0.0 °C. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | angelic acid |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Angelic Acid is a substance found in the essential oil of Anthemis nobilis, and it exists in an ester form. Angelic acid aids in wound healing and exhibits sedative and psychotropic properties[1]. |
|---|---|
| Related Catalog | |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.0±0.1 g/cm3 |
|---|---|
| Boiling Point | 198.5±0.0 °C at 760 mmHg |
| Melting Point | 44ºC |
| Molecular Formula | C5H8O2 |
| Molecular Weight | 100.116 |
| Flash Point | 95.9±9.6 °C |
| Exact Mass | 100.052429 |
| PSA | 37.30000 |
| LogP | 1.35 |
| Vapour Pressure | 0.2±0.7 mmHg at 25°C |
| Index of Refraction | 1.451 |
| InChIKey | UIERETOOQGIECD-ARJAWSKDSA-N |
| SMILES | CC=C(C)C(=O)O |
| Storage condition | Refrigerator |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Risk Phrases | R34 |
|---|---|
| Safety Phrases | 26-36/37/39 |
| RIDADR | UN 3261 |
| Packaging Group | II |
| Hazard Class | 8 |
| HS Code | 2916190090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
|---|---|
| DownStream 9 | |
CAS#:5953-76-4
CAS#:3017-68-3
CAS#:20068-02-4
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CAS#:141-46-8This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2916190090 |
|---|---|
| Summary | 2916190090 unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:6.5%。general tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| (2Z)-2-Methyl-2-butenoic acid |
| (2Z)-2-methylbut-2-enoic acid |
| 2-METHYLISOCROTONIC ACID |
| cis-2-methyl-2-butenoic acid |
| Z-2-methyl-2-butenoic acid |
| cis-2,3-Dimethylacrylic Acid |
| sumbulic acid |
| trans-2-methyl-2-butenoic acid |
| (Z)-2-methylcrotonic acid |
| ANGELIC ACID(RG) |
| Z-2-methylcrotonic acid |
| cis-2-methylbutenoic acid |
| 2-methyl-2Z-butenoic acid |
| (Z)-2-Methyl-2-butenoic acid |
| cis-2-Dimethylcrotonic Acid |
| MFCD00002654 |
| 2-methyl-cis-crotonicacid |
| EINECS 209-284-2 |
| Angelic acid |
| (Z)-MeCH=C(Me)COOH |
| trans-2,3-dimethylacrylic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of angelic acid? |
| A: CAS number of angelic acid is 565-63-9. |
| Q: What are the uses of angelic acid? |
| A: Main uses of angelic acid: Angelic Acid is a substance found in the essential oil of Anthemis nobilis, and it exists in an ester form. Angelic acid aids in wound healing and exhibits sedative and psychotropic properties[1]. |
| Q: What is the LogP of angelic acid? |
| A: LogP of angelic acid is 1.35. |
| Q: What are the upstream materials of angelic acid? |
| A: Related upstream materials(CAS) of angelic acid: 5953-76-4;3017-68-3;20068-02-4;58546-55-7;5980-10-9. |
| Q: What is the molecular formula of angelic acid? |
| A: Molecular formula of angelic acid is C5H8O2. |
| Q: What is the safety information for angelic acid? |
| A: Safety information for angelic acid: 26-36/37/39. |
| Q: What is the polar surface area (PSA) of angelic acid? |
| A: Polar surface area (PSA) of angelic acid is 37.30000. |
| Q: What is the melting point of angelic acid? |
| A: Melting point of angelic acid is 44ºC. |
| Q: What are the storage conditions for angelic acid? |
| A: Storage conditions for angelic acid: Refrigerator. |
| Q: What is the InChIKey of angelic acid? |
| A: InChIKey of angelic acid is UIERETOOQGIECD-ARJAWSKDSA-N. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |
| naturewill |